Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculated result by using QSAR software ACD/Labs V11.0 of Advanceed Chemistry Development, published by ACD/Labs 2013 published in REGISTRY Chemical Abstract data base of Services of American Chemical Society (ACS) 2013
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
publication
Title:
QSAR calculation used
Author:
American Chemical Society (ACS)
Year:
2013
Bibliographic source:
Calculated result by using QSAR software ACD/Labs V11.0 of Advanceed Chemistry Development, published by ACD/Labs 2013 published in REGISTRY Chemical Abstract data base of Services of American Chemical Society (ACS) 2013

Materials and methods

GLP compliance:
no
Type of method:
other: QSAR calculation used

Test material

Constituent 1
Chemical structure
Reference substance name:
Not applicable
Molecular formula:
C14H18O2 and C18H15OP
IUPAC Name:
Not applicable

Results and discussion

Water solubility
Water solubility:
0.07 g/L
Temp.:
25 °C
pH:
1 - ca. 10
Remarks on result:
other: QSAR calculation used
Details on results:
Calculated result by using QSAR software ACD/Labs V11.0 of Advanceed Chemistry Development, published by ACD/Labs 2013 published in REGISTRY Chemical Abstract data base of Services of American Chemical Society (ACS) 2013

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
QSAR calculation used to 0.07 g/l@25 °C